Comment on "Density functional theory is straying from the path toward the exact functional".

Published in: Science (New York, N.Y.) (2017)

Medvedev et al (Reports, 6 January 2017, p. 49) argue that recent density functionals stray from the path toward exactness. This conclusion rests on very compact 1s2 and 1s22s2 systems favored by the Hartree-Fock picture. Comparison to actual energies for the same systems indicates that the "straying" is not chemically relevant and is at best specific to the studied dense systems.

Keyphrases

density functional theory
molecular dynamics
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